TETRADEC-13-ENE-1,2-DIOL

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID701006444

Structure

InChI Key KLRIGFIZXKJATE-UHFFFAOYSA-N
Smiles OCC(O)CCCCCCCCCCC=C
InChI
InChI=1/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15/h2,14-16H,1,3-13H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H28O2
Molecular Weight 228.21
AlogP 3.43
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 12.0
Polar Surface Area 40.46
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 85866-09-7
NORMAN SUSDAT
PubChem 3020998
CONTENTS